[1-[(4-tert-butylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: [1-[(4-tert-butylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: [2-(4-tert-butylanilino)-1-methyl-2-oxo-ethyl] 3-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 3-(1-pyrrolidinylsulfonyl)benzoic acid [1-(4-tert-butylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-tert-butylanilino)-1-oxopropan-2-yl] 3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 3-pyrrolidinosulfonylbenzoic acid [2-(4-tert-butylanilino)-2-keto-1-methyl-ethyl] ester Formula: C24H30N2O5S MolecularWeight: 458.5704

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(C)(C)C)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C(C)(C)C)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C24H30N2O5S/c1-17(22(27)25-20-12-10-19(11-13-20)24(2,3)4)31-23(28)18-8-7-9-21(16-18)32(29,30)26-14-5-6-15-26/h7-13,16-17H,5-6,14-15H2,1-4H3,(H,25,27)